N2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,3-diamine

Systemtic Name: N2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,3-diamine Openeye Name: N2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,3-diamine CAS Name: N2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,3-diamine IUPAC Name: 2-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]pyridin-1-ium-2,3-diamine Traditional Name: (3-aminopyridin-1-ium-2-yl)-[(1S,2R,3S)-2,3-dimethylcyclohexyl]amine Formula: C13H22N3+ MolecularWeight: 220.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C(C=CC=[NH+]2)N

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC2=C(C=CC=[NH+]2)N

InChI

InChI=1S/C13H21N3/c1-9-5-3-7-12(10(9)2)16-13-11(14)6-4-8-15-13/h4,6,8-10,12H,3,5,7,14H2,1-2H3,(H,15,16)/p+1/t9-,10+,12-/m0/s1